Temperature dependence of thermodynamic properties of a polarizable potential model of water

P. Jedlovszky, Renzo Vallauri

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

The temperature dependence of several thermodynamic properties of water is determined at atmospheric pressure by a set of computer simulations with a polarizable potential model. It is found that the maximum of the density occurs at the correct temperature, but the decrease in density with increasing temperature is more rapid than expected for real water. Consequently, the temperature dependence of other quantities, especially that of the thermal expansion coefficient, is reproduced with some inaccuracies. The model, however, turns out to be a definitive improvement over similar non-polarizable ones, for which the density maximum is either missing or found to be shifted considerably with temperature.

Original languageEnglish
Pages (from-to)1157-1163
Number of pages7
JournalMolecular Physics
Volume97
Issue number11
Publication statusPublished - 1999

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Thermodynamics
Thermodynamic properties
thermodynamic properties
temperature dependence
Temperature
Water
water
temperature
thermal expansion
atmospheric pressure
computerized simulation
Atmospheric Pressure
Computer Simulation
Atmospheric pressure
Thermal expansion
coefficients
Hot Temperature
Computer simulation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Temperature dependence of thermodynamic properties of a polarizable potential model of water. / Jedlovszky, P.; Vallauri, Renzo.

In: Molecular Physics, Vol. 97, No. 11, 1999, p. 1157-1163.

Research output: Contribution to journalArticle

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